2-(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)-1-{6,6-dimethylspiro[3.3]heptan-2-yl}-2-hydroxyethan-1-one
Structure Info
- Chemspace ID
- CSMB02254688097 (Enamine MADE)
- IUPAC Name
- 2-(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)-1-{6,6-dimethylspiro[3.3]heptan-2-yl}-2-hydroxyethan-1-one
- Mol formula
- C14H20BrN3O2
- Mol weight
- 342 Da
- Catalog Number(s)
- BBV-238386422
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.55
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.78571428571429
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB02254688097
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